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PUBCHEM-ZINC04661087

 MMsINC code: MMs03148928
Type: Neutral
Formula: C10H14N4O5
SMILES:   O(CCCNc1cc(N)c([N+](=O)[O-])cc1[N+](=O)[O-])C
InChI:   InChI=1/C10H14N4O5/c1-19-4-2-3-12-8-5-7(11)9(13(15)16)6-10(8)14(17)18/h5-6,12H,2-4,11H2,1H3

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Potential Energy
Epot(MMFF94)=98.1678 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.245 g/mol  logS: -2.82709  SlogP: 1.5336  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0182797  Sterimol/B1: 2.52918  Sterimol/B2: 2.53713  Sterimol/B3: 4.02632
  Sterimol/B4: 6.02955  Sterimol/L: 16.3546 
 
 Surface and Volume Properties
  Accessible surface: 489.322  Positive charged surface: 292.246  Negative charged surface: 197.076  Volume: 229.5
  Hydrophobic surface: 266.411  Hydrophilic surface: 222.911
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.